Information card for entry 8104616

Structure parameters

• Formula: C19 H16 Cu I N3 O7
• Calculated formula: C19 H16 Cu I N3 O7
• Title of publication: Crystal structure of [aqua-(4-iodopyridine-2,6-dicarboxylato-κ3 O,N,O′)-(1,10-phenanothroline-κ2 N,N′)copper(II)] dihydrate, C19H16O7N3CuI
• Authors of publication: Lv, Benlian
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 5
• Pages of publication: 891 - 893
• a: 12.5772 ± 0.0002 Å
• b: 17.3473 ± 0.0003 Å
• c: 18.8445 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4111.5 ± 0.12 ų
• Cell temperature: 289.32 ± 0.1 K
• Ambient diffraction temperature: 289.32 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0341
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No